methyl 4-{[6-(2-methoxyphenyl)imidazo[2,1-b][1,3]thiazol-3-yl]formamido}butanoate

• ChemBase ID: 423634
• Molecular Formular: C18H19N3O4S
• Molecular Mass: 373.42616
• Monoisotopic Mass: 373.1096271
• SMILES: n12c(nc(c2)c2c(OC)cccc2)scc1C(=O)NCCCC(=O)OC
• Canonical SMILES: COC(=O)CCCNC(=O)c1csc2n1cc(n2)c1ccccc1OC
• InChI: InChI=1S/C18H19N3O4S/c1-24-15-7-4-3-6-12(15)13-10-21-14(11-26-18(21)20-13)17(23)19-9-5-8-16(22)25-2/h3-4,6-7,10-11H,5,8-9H2,1-2H3,(H,19,23)
• InChIKey: HEBANGKIIBDJDE-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: methyl 4-{[6-(2-methoxyphenyl)imidazo[2,1-b][1,3]thiazol-3-yl]formamido}butanoate
• IUPAC Traditional name: methyl 4-{[6-(2-methoxyphenyl)imidazo[2,1-b][1,3]thiazol-3-yl]formamido}butanoate
• Synonyms: methyl 4-({[6-(2-methoxyphenyl)imidazo[2,1-b][1,3]thiazol-3-yl]carbonyl}amino)butanoate

CALCULATED PROPERTIES

JChem

• Acid pKa: 14.988312
• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): 1.8112017
• LogD (pH = 7.4): 1.8125073
• Log P: 1.812524
• Molar Refractivity: 108.9005 cm^3
• Polarizability: 38.28677 Å^3
• Polar Surface Area: 81.93 Å^2
• Rotatable Bonds: 8
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 6
• H Donor: 1
• Log P: 2.75
• LOG S: -5.49
• Polar Surface Area: 81.93 Å^2
• Rotatable Bonds: 6